Geometry & MOs

Info

ID:	368081
PubChem CID:	127327286
Reduced:	OSF3N7C13H16 (1)
Stoich.:	ABC3D7E13F16 (1)
Weight, g/mol:	348.161997
ΔH_f, kcal/mol:	-83.89
Dipole, Da:	4.91
IP(EA), eV:	-9.38(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

cyclobutyl-[4-[3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]-1,3-thiazolidin-3-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2CCN(C2)C(=O)CSC3=NN=NN3CC(F)(F)F

DOS

IR

Vibrations